N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine

C59H38N2 — CID 167126464

IUPACN,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc5c(c34)c3c2cccc3n5-c2ccccc2)cc1
InChIInChI=1S/C59H38N2/c1-6-18-39(19-7-1)41-32-34-46-47-35-33-42(40-20-8-2-9-21-40)37-52(47)59(51(46)36-41)49-29-16-28-48-54(60(43-22-10-3-11-23-43)44-24-12-4-13-25-44)38-55-58(56(48)49)57-50(59)30-17-31-53(57)61(55)45-26-14-5-15-27-45/h1-38H
InChIKeyLUQUTQRJKKZMKV-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds6

About N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine

N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine (PubChem CID 167126464) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
PubChem CID167126464
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC NameN,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc5c(c34)c3c2cccc3n5-c2ccccc2)cc1
InChIInChI=1S/C59H38N2/c1-6-18-39(19-7-1)41-32-34-46-47-35-33-42(40-20-8-2-9-21-40)37-52(47)59(51(46)36-41)49-29-16-28-48-54(60(43-22-10-3-11-23-43)44-24-12-4-13-25-44)38-55-58(56(48)49)57-50(59)30-17-31-53(57)61(55)45-26-14-5-15-27-45/h1-38H
InChIKeyLUQUTQRJKKZMKV-UHFFFAOYSA-N
XLogP15.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine with MolForge

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Related Compounds

N-(4-phenanthren-3-ylphenyl)-N,6-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 167126350
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
3',6'-ditert-butyl-N,N-diphenyl-6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine
CID 170939124
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
N,N-diphenyl-4-[6-(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-yl]aniline
CID 167126391
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946

Frequently Asked Questions

What is the IUPAC name of N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine?
The IUPAC name of N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine (CID 167126464) is N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine.
What is the SMILES notation for N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine?
The canonical SMILES for N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cccc4c(N(c5ccccc5)c5ccccc5)cc5c(c34)c3c2cccc3n5-c2ccccc2)cc1.
What is the InChIKey of N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine?
The InChIKey is LUQUTQRJKKZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-6-18-39(19-7-1)41-32-34-46-47-35-33-42(40-20-8-2-9-21-40)37-52(47)59(51(46)36-41)49-29-16-28-48-54(60(43-22-10-3-11-23-43)44-24-12-4-13-25-44)38-55-58(56(48)49)57-50(59)30-17-31-53(57)61(55)45-26-14-5-15-27-45/h1-38H.
What are the key properties of N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine?
N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine has a molecular weight of 774.97 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2',6,7'-pentakis-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7,9,11,13,15-octaene-18,9'-fluorene]-9-amine is sourced from PubChem (CID 167126464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).